3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-1H-pyridazin-6-one

C15H19N7O4 — CID 1266549

IUPAC3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-1H-pyridazin-6-one
SMILESO=c1ccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)n[nH]1
InChIInChI=1S/C15H19N7O4/c23-11-1-2-12(20-19-11)26-15-17-13(21-3-7-24-8-4-21)16-14(18-15)22-5-9-25-10-6-22/h1-2H,3-10H2,(H,19,23)
InChIKeyNAOZIOOGRMNGPX-UHFFFAOYSA-N
MW361.36 g/mol
LogP-0.58
Rot. Bonds4

About 3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-1H-pyridazin-6-one

3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-1H-pyridazin-6-one (PubChem CID 1266549) has the molecular formula C15H19N7O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is 3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-1H-pyridazin-6-one
PubChem CID1266549
Molecular FormulaC15H19N7O4
Molecular Weight361.36 g/mol
Exact Mass361.15
IUPAC Name3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-1H-pyridazin-6-one
SMILESO=c1ccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)n[nH]1
InChIInChI=1S/C15H19N7O4/c23-11-1-2-12(20-19-11)26-15-17-13(21-3-7-24-8-4-21)16-14(18-15)22-5-9-25-10-6-22/h1-2H,3-10H2,(H,19,23)
InChIKeyNAOZIOOGRMNGPX-UHFFFAOYSA-N
XLogP-0.58
TPSA118.59 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-1H-pyridazin-6-one?
The IUPAC name of 3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-1H-pyridazin-6-one (CID 1266549) is 3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-1H-pyridazin-6-one?
The canonical SMILES for 3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-1H-pyridazin-6-one is O=c1ccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)n[nH]1.
What is the InChIKey of 3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-1H-pyridazin-6-one?
The InChIKey is NAOZIOOGRMNGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O4/c23-11-1-2-12(20-19-11)26-15-17-13(21-3-7-24-8-4-21)16-14(18-15)22-5-9-25-10-6-22/h1-2H,3-10H2,(H,19,23).
What are the key properties of 3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-1H-pyridazin-6-one?
3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-1H-pyridazin-6-one has a molecular weight of 361.36 g/mol, XLogP of -0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-1H-pyridazin-6-one is sourced from PubChem (CID 1266549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).